4-acetyl-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide

C15H12F3NO4S — CID 2108389

IUPAC4-acetyl-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C15H12F3NO4S/c1-10(20)11-2-8-14(9-3-11)24(21,22)19-12-4-6-13(7-5-12)23-15(16,17)18/h2-9,19H,1H3
InChIKeyZKRLRHHSWPBAEO-UHFFFAOYSA-N
MW359.33 g/mol
LogP3.59
Rot. Bonds5

About 4-acetyl-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide

4-acetyl-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide (PubChem CID 2108389) has the molecular formula C15H12F3NO4S and a molecular weight of 359.33 g/mol. Its IUPAC name is 4-acetyl-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
PubChem CID2108389
Molecular FormulaC15H12F3NO4S
Molecular Weight359.33 g/mol
Exact Mass359.04
IUPAC Name4-acetyl-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C15H12F3NO4S/c1-10(20)11-2-8-14(9-3-11)24(21,22)19-12-4-6-13(7-5-12)23-15(16,17)18/h2-9,19H,1H3
InChIKeyZKRLRHHSWPBAEO-UHFFFAOYSA-N
XLogP3.59
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-acetyl-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-ethylphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154312
N-[4-(hydroxymethyl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 3675528
propan-2-yl 4-[(4-acetylphenyl)sulfonylamino]benzoate
CID 7938904
N-(3,4-dimethoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 3863930
(3,3-dimethyl-2-oxobutyl) 4-[(4-acetylphenyl)sulfonylamino]benzoate
CID 7741006
(2S)-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 41153856
N-[(2S)-1-[4-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]propan-2-yl]propanamide
CID 67419836
4-[(2-methylphenyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 26643217
4-acetyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3694127
1-methyl-4-[[4-(trifluoromethoxy)phenyl]sulfamoyl]pyrrole-2-carboxamide
CID 35507297
N-(3-acetylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 31688238
S-[2-oxo-2-[4-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]ethyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanethioate
CID 58599354

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide (CID 2108389) is 4-acetyl-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of 4-acetyl-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide?
The InChIKey is ZKRLRHHSWPBAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO4S/c1-10(20)11-2-8-14(9-3-11)24(21,22)19-12-4-6-13(7-5-12)23-15(16,17)18/h2-9,19H,1H3.
What are the key properties of 4-acetyl-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide?
4-acetyl-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide has a molecular weight of 359.33 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide is sourced from PubChem (CID 2108389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).